Geometry & MOs

Info

ID:

84382

PubChem CID:

49866116

Reduced:

ON3F4H13C18 (1)

Stoich.:

AB3C4D13E18 (1)

Weight, g/mol:

551.288303

ΔHf, kcal/mol:

-162.97

Dipole, Da:

7.23

IP(EA), eV:

 -9.48(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2R,3S,5S,8S,10S)-2,10-diacetyloxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] 3-pyridin-3-ylpropanoate

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=CC(=C2)C3=C(C=CC=C3F)C(F)(F)F)C(=O)N

DOS

IR

Vibrations